SCHEMBL2811264

SCHEMBL2811264

Cn1ccc2cc(NC(=O)c3cc4cccnc4n3CCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.53
HTR2B P41595 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2C P28335 2/20 0.46
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
GRM4 Q14833 1/20 0.44
ROCK1 Q13464 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2813981 0.92 HTR2B (0.48) ECE1HTR2BTP53MAPTKMT2A
SCHEMBL2813234 0.84 MAOB (0.52) ECE1HTR2BTP53MAPTKMT2A
SCHEMBL4656256 0.81 ECE1 (0.62) ECE1NOTUMALDH1A1TSHRHTT
SCHEMBL2811261 0.80 HTR2B (0.47) HTR2BTP53MAPTKMT2AKDM4E
SCHEMBL3569668 0.77 KDM4E (0.53) ECE1HTR2BTP53MAPTKMT2A
SCHEMBL4395300 0.76 CCR2 (0.52) KMT2AKDM4EMEN1CYP1A2CYP3A4
SCHEMBL4656147 0.76 ECE1 (0.55) ECE1NOTUMALDH1A1TSHRHTT
SCHEMBL4655386 0.76 ECE1 (0.51) ECE1NOTUMALDH1A1TSHRHTT
SCHEMBL4655406 0.75 ECE1 (0.54) ECE1HTR2BTP53MAPTKMT2A
SCHEMBL4655358 0.75 ECE1 (0.54) ECE1HTR2BTP53MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP claimed
CN-101247808-B N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives and their preparation SANOFI AVENTIS 2014-08-27 CN disclosed
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
CN-101247808-A N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-08-20 CN disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 ECE1 1533/4885HTR2B 1160/4885TP53 3733/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 ECE1 1667/4885HTR2B 771/4885TP53 2476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.